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DocumentationIdentifier: MM15735
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15735 |
| SMILES |
C=C(C)CC(C=O)C=O
|
| InChIKey |
UZEJWEYLYLLLCD-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
0.97
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM32948
Similarity: 0.8485
Similarity to MM32948
| Tanimoto metric | 0.8485 |
|---|---|
| Cosine metric | 0.9211 |
| Dice metric | 0.918 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM330178
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| Tanimoto metric | 0.8049 |
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| Cosine metric | 0.8971 |
| Dice metric | 0.8919 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM229479
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Similarity to MM229479
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.871 |
| Dice metric | 0.8627 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+397 more
